CID 53479518

Gpcho(24:1n9/20:3n9)

Structural Information

Molecular Formula
C52H97NO8P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChI
InChI=1S/C52H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-28-23-21-19-17-15-13-11-9-7-2/h20-23,31,33,37,39,50H,6-19,24-30,32,34-36,38,40-49H2,1-5H3/p+1/b22-20-,23-21-,33-31-,39-37-/t50-/m1/s1
InChIKey
FVKDZQZYIXEMHX-FSEITAAGSA-O
Compound name
2-[hydroxy-[(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-[(Z)-tetracos-15-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

894.6952 Da
Monoisotopic Mass

16.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 895.70248 311.8
[M+Na]+ 917.68442 313.5
[M-H]- 893.68792 304.2
[M+NH4]+ 912.72902 320.8
[M+K]+ 933.65836 319.0
[M+H-H2O]+ 877.69246 296.1
[M+HCOO]- 939.69340 315.6
[M+CH3COO]- 953.70905 309.3
[M+Na-2H]- 915.66987 288.3
[M]+ 894.69465 310.6
[M]- 894.69575 310.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.